SCHEMBL4417102

SCHEMBL4417102

Cc1onc(-c2cc(Cl)ccc2Cl)c1C(=O)N1CCC2(CC1)CN(Cc1ccc(C(C)(C)C)cc1)C(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.43
EPAS1 Q99814 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1086772 0.88 KMT2A (0.52) ALDH1A1TSHRGAAEPAS1LMNA
SCHEMBL1086265 0.82 LMNA (0.59) ALDH1A1SMN1; SMN2TSHRGAAEPAS1
SCHEMBL1086176 0.82 EPAS1 (0.56) ALDH1A1SMN1; SMN2TSHRGAAEPAS1
SCHEMBL1086202 0.79 TACR1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL1086458 0.78 KMT2A (0.56) SMN1; SMN2TSHRGAALMNAKMT2A
SCHEMBL1086278 0.76 KMT2A (0.60) SMN1; SMN2TSHRGAALMNAKMT2A
SCHEMBL1086304 0.74 MEN1 (0.41) ALDH1A1SMN1; SMN2TSHRGAAHTT
SCHEMBL1086619 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1
SCHEMBL1086045 0.74 KMT2A (0.54) SMN1; SMN2TSHRGAALMNAKMT2A
SCHEMBL1086560 0.73 RAB9A (0.44) ALDH1A1SMN1; SMN2HTTKMT2ARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed